BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18438

Title: Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A

Deposition date: 2012-05-03 Original release date: 2012-06-06

Authors: Eletsky, Alexander; Lee, Hsiau-Wei; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Prestegard, James; Szyperski, Thomas

Citation: Eletsky, Alexander; Lee, Hsiau-Wei; Lee, Dan; Kohan, Eitan; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Everett, John; Montelione, Gaetano; Prestegard, James; Szyperski, Thomas. "Solution NMR Structure of the Globular Domain of Human Histone H1x, Northeast Structural Genomics Consortium (NESG) Target HR7057A"  To be published ., .-..

Assembly members:
HR7057A, polymer, 83 residues, 9400.875 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
HR7057A: SHMQPGKYSQLVVETIRRLG ERNGSSLAKIYTEAKKVPWF DQQNGRTYLKYSIKALVQND TLLQVKGTGANGSFKLNRKK LEG

Data sets:
Data typeCount
13C chemical shifts372
15N chemical shifts88
1H chemical shifts603

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1HR7057A1

Entities:

Entity 1, HR7057A 83 residues - 9400.875 Da.

Residues 4-83 correspond to the 44-123 fragment of the native H1x. Residues 1-3 represent the remainder of the affinity purification tag after TEV cleavage

1   SERHISMETGLNPROGLYLYSTYRSERGLN
2   LEUVALVALGLUTHRILEARGARGLEUGLY
3   GLUARGASNGLYSERSERLEUALALYSILE
4   TYRTHRGLUALALYSLYSVALPROTRPPHE
5   ASPGLNGLNASNGLYARGTHRTYRLEULYS
6   TYRSERILELYSALALEUVALGLNASNASP
7   THRLEULEUGLNVALLYSGLYTHRGLYALA
8   ASNGLYSERPHELYSLEUASNARGLYSLYS
9   LEUGLUGLY

Samples:

HR7057A_NC: HR7057A.011, [U-100% 13C; U-100% 15N], 0.9 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DSS 50 uM; sodium azide 0.02%; H2O 90%; D2O 10%

HR7057A_NC5: HR7057A.011, [5% 13C; U-100% 15N], 0.6 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DSS 50 uM; sodium azide 0.02%; H2O 90%; D2O 10%

HR7057A_NC5_PEG: HR7057A.011, [5% 13C; U-100% 15N], 0.3 mM; MES 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DSS 50 uM; sodium azide 0.02%; C12E5 PEG 4%; hexanol 4%; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCHR7057A_NCisotropicsample_conditions_1
2D 1H-13C CT-HSQC aliphaticHR7057A_NCisotropicsample_conditions_1
3D HNCOHR7057A_NCisotropicsample_conditions_1
3D CBCA(CO)NHHR7057A_NCisotropicsample_conditions_1
3D HNCACBHR7057A_NCisotropicsample_conditions_1
3D (H)CCH-TOCSY aliphaticHR7057A_NCisotropicsample_conditions_1
3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESYHR7057A_NCisotropicsample_conditions_1
2D 1H-13C CT-HSQC aromaticHR7057A_NCisotropicsample_conditions_1
3D (H)C(CCO)NH-TOCSYHR7057A_NCisotropicsample_conditions_1
3D H(CCCO)NH-TOCSYHR7057A_NCisotropicsample_conditions_1
3D HBHA(CO)NHHR7057A_NCisotropicsample_conditions_1
3D HN(CA)COHR7057A_NCisotropicsample_conditions_1
3D HCCH-COSY aliphaticHR7057A_NCisotropicsample_conditions_1
3D HCCH-COSY aromaticHR7057A_NCisotropicsample_conditions_1
2D 1H-13C CT-HSQC methylHR7057A_NC5isotropicsample_conditions_1
2D J-resolved 1H-15N HSQCHR7057A_NC5isotropicsample_conditions_1
2D J-resolved 1H-15N HSQCHR7057A_NC5_PEGanisotropicsample_conditions_1
1D 15N T1HR7057A_NCisotropicsample_conditions_1
1D 15N T2HR7057A_NCisotropicsample_conditions_1

Software:

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution, geometry optimization

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - refinement, geometry optimization, structure solution

ASDP v1.0, Huang, Tejero, Powers and Montelione - data analysis, refinement

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

XEASY v1.3.13, Bartels et al. - data analysis

VNMRJ v2.2D, Varian - collection

PINE v1.0, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

SPARKY, Goddard - data analysis

TALOS+, Shen, Cornilescu, Delaglio and Bax - geometry optimization

PSVS v1.4, Bhattacharya, Montelione - structure validation

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Varian INOVA 750 MHz
  • Varian INOVA 600 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAA11018 BAE90932
GB AAH00426 AAH10435 EAW79264 EFB22594 ELK15204
REF NP_001253012 NP_001273421 NP_006017 XP_002697189 XP_002758712
SP Q92522
TPG DAA16748

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts